#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 0.00 0.00 3.17 2.03 -1.26 -5.18 116.55 115.32 1ddb n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ddb n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ddb n SER 3 N 0.00 0.00 0.00 1.67 7.64 -1.26 -5.17 113.62 116.50 1ddb n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddb n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddb n SER 3 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ddb n GLU 4 N 0.00 0.00 -3.58 1.43 0.28 -1.26 -5.18 120.64 112.33 1ddb n GLU 4 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1ddb n GLU 4 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1ddb n GLU 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ddb s VAL 5 N 0.00 0.00 0.00 3.84 0.11 -1.26 -5.16 120.40 117.93 1ddb s VAL 5 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ddb s VAL 5 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ddb s VAL 5 CO 0.00 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.57 1ddb n SER 6 N 1.37 0.00 0.00 3.54 7.64 -1.26 -5.19 113.62 119.72 1ddb n SER 6 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1ddb n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1ddb n SER 6 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ddb n ASN 7 N 0.00 0.00 0.00 6.43 5.15 -1.26 -5.15 115.26 120.43 1ddb n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ddb n ASN 7 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 8 N -0.18 3.18 3.25 8.20 0.00 -1.26 -5.19 105.19 113.20 1ddb n GLY 8 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddb s SER 9 N 0.00 0.04 0.00 1.61 0.15 -1.26 -5.09 113.70 109.14 1ddb s SER 9 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1ddb s SER 9 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1ddb s SER 9 CO 0.00 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1ddb n GLY 10 N -0.12 -0.10 1.26 9.45 0.00 -1.26 -5.14 105.19 109.27 1ddb n GLY 10 Ca -0.14 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.61 1ddb n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddb n LEU 11 N 0.00 -3.30 0.00 0.99 7.99 -1.26 -5.02 117.00 116.40 1ddb n LEU 11 Ca 0.00 2.33 0.00 0.00 -0.01 0.00 0.00 56.01 58.33 1ddb n LEU 11 Cb 0.00 -2.00 0.00 0.00 -0.11 0.00 0.00 43.42 41.31 1ddb n LEU 11 CO 0.00 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.50 1ddb n GLY 12 N -0.44 0.21 0.62 -0.72 0.00 -1.26 -4.84 105.19 98.76 1ddb n GLY 12 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N -0.77 -2.70 -3.61 4.61 0.00 -1.26 -5.07 120.51 111.71 1ddb n ALA 13 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 1ddb n ALA 13 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1ddb n ALA 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ddb s LYS 14 N -3.30 0.49 0.04 0.00 2.20 -1.26 -5.00 119.74 112.92 1ddb s LYS 14 Ca 0.00 0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.64 1ddb s LYS 14 Cb 0.00 0.24 -0.17 0.00 -1.51 0.00 0.00 37.83 36.39 1ddb s LYS 14 CO 0.00 -0.12 1.51 0.45 -0.36 0.00 0.00 175.35 176.83 1ddb h HIS 15 N 3.14 -0.22 -0.16 4.03 3.86 -2.01 -2.48 115.15 121.31 1ddb h HIS 15 Ca -0.22 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.96 1ddb h HIS 15 Cb 1.17 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1ddb h HIS 15 CO 0.29 0.01 -0.04 0.97 0.86 0.00 0.00 177.93 180.01 1ddb h ILE 16 N -0.42 1.13 0.22 2.45 6.09 -1.99 -2.71 117.51 122.29 1ddb h ILE 16 Ca -0.02 -0.53 -0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1ddb h ILE 16 Cb 0.32 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.65 1ddb h ILE 16 CO 0.04 0.17 -0.34 0.74 -3.07 0.00 0.00 178.15 175.69 1ddb h THR 17 N 0.23 0.00 -0.93 2.19 2.02 -1.85 -1.02 112.91 113.56 1ddb h THR 17 Ca 0.05 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.44 1ddb h THR 17 Cb 0.23 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.57 1ddb h THR 17 CO 0.01 0.00 0.61 0.44 0.37 0.00 0.00 175.52 176.95 1ddb h ASP 18 N -0.59 0.47 -0.56 4.18 3.32 -1.32 0.83 116.42 122.75 1ddb h ASP 18 Ca -0.03 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.17 1ddb h ASP 18 Cb 0.54 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1ddb h ASP 18 CO -0.10 0.18 0.38 -0.07 -1.72 0.00 0.00 179.24 177.90 1ddb h LEU 19 N 0.47 0.32 -0.49 1.55 3.38 -0.90 0.97 115.31 120.60 1ddb h LEU 19 Ca 0.50 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.41 1ddb h LEU 19 Cb 1.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1ddb h LEU 19 CO -0.21 0.20 0.08 0.25 0.09 0.00 0.00 178.44 178.84 1ddb h LEU 20 N 0.36 0.78 0.52 1.67 7.12 0.17 2.44 115.31 128.37 1ddb h LEU 20 Ca 0.26 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1ddb h LEU 20 Cb 0.54 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1ddb h LEU 20 CO -0.06 0.85 -0.25 1.62 -0.13 0.00 0.00 178.44 180.46 1ddb h VAL 21 N 0.69 0.00 -0.16 1.05 3.04 -0.75 1.52 116.25 121.64 1ddb h VAL 21 Ca 0.15 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.68 1ddb h VAL 21 Cb 0.40 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1ddb h VAL 21 CO 0.01 0.00 -0.07 0.15 -1.01 0.00 0.00 177.57 176.65 1ddb h PHE 22 N -0.83 0.24 -0.10 3.17 3.57 -1.09 -2.55 116.94 119.36 1ddb h PHE 22 Ca -0.07 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.17 1ddb h PHE 22 Cb 0.54 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1ddb h PHE 22 CO 0.07 0.32 -0.85 0.78 -2.23 0.00 0.00 178.31 176.39 1ddb h GLY 23 N 0.64 0.84 0.20 2.40 0.00 0.42 -2.65 103.07 104.92 1ddb h GLY 23 Ca 0.05 -1.27 0.04 0.00 0.00 0.00 0.00 47.33 46.15 1ddb h GLY 23 CO 0.01 1.13 -0.32 -2.75 0.00 0.00 0.00 176.54 174.61 1ddb h PHE 24 N 0.47 -0.89 -0.69 5.60 3.04 0.26 -1.26 116.94 123.47 1ddb h PHE 24 Ca -0.08 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1ddb h PHE 24 Cb 1.49 0.41 -0.03 0.00 2.56 0.00 0.00 35.95 40.38 1ddb h PHE 24 CO 0.09 -0.41 0.41 1.25 -2.02 0.00 0.00 178.31 177.64 1ddb h LEU 25 N -0.42 0.83 -1.67 0.59 5.85 -1.60 -0.44 115.31 118.44 1ddb h LEU 25 Ca 0.08 -0.06 0.29 0.00 0.84 0.00 0.00 57.88 59.03 1ddb h LEU 25 Cb 0.55 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1ddb h LEU 25 CO -0.33 0.65 0.72 -0.61 -0.34 0.00 0.00 178.44 178.53 1ddb h GLN 26 N 0.94 0.20 0.00 1.25 -0.00 -0.89 -1.86 115.11 114.74 1ddb h GLN 26 Ca 0.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.86 1ddb h GLN 26 Cb -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.40 1ddb h GLN 26 CO -0.05 0.13 -0.21 1.03 0.00 0.00 0.00 178.83 179.74 1ddb h SER 27 N 0.21 0.00 0.00 -0.69 0.87 -0.17 -3.50 113.55 110.27 1ddb h SER 27 Ca 0.55 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1ddb h SER 27 Cb 1.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1ddb h SER 27 CO -0.15 0.74 0.00 -0.24 -0.53 0.00 0.00 176.83 176.65 1ddb n SER 28 N -4.68 1.08 0.00 6.23 2.88 -0.29 -4.86 113.62 113.98 1ddb n SER 28 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1ddb n SER 28 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N 0.00 0.08 0.00 0.46 0.00 -1.26 -3.95 105.19 100.52 1ddb n GLY 29 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N 0.00 0.00 0.15 0.00 2.01 -1.26 -5.01 115.64 111.53 1ddb s THR 31 Ca 0.00 -1.95 -0.25 0.00 0.31 0.00 0.00 61.69 59.79 1ddb s THR 31 Cb 0.00 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1ddb s THR 31 CO 0.00 0.00 1.60 0.08 -0.69 0.00 0.00 174.62 175.61 1ddb h ARG 32 N 2.58 -0.34 -0.62 4.92 0.11 -1.92 0.51 114.38 119.62 1ddb h ARG 32 Ca -0.35 0.02 0.18 0.00 0.10 0.00 0.00 59.98 59.94 1ddb h ARG 32 Cb 1.25 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.38 1ddb h ARG 32 CO 0.51 -0.22 0.54 0.37 0.10 0.00 0.00 179.97 181.27 1ddb h GLN 33 N -0.35 0.00 0.45 0.08 4.15 -1.99 -0.88 115.11 116.57 1ddb h GLN 33 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1ddb h GLN 33 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ddb h GLN 33 CO -0.45 0.00 -0.22 1.49 -1.93 0.00 0.00 178.83 177.72 1ddb h GLU 34 N 0.00 -0.59 -1.26 1.69 4.57 -0.41 -2.39 114.58 116.20 1ddb h GLU 34 Ca 0.30 0.04 0.36 0.00 -1.18 0.00 0.00 59.36 58.88 1ddb h GLU 34 Cb 1.38 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 30.03 1ddb h GLU 34 CO -0.00 -0.29 0.87 1.37 -1.18 0.00 0.00 179.01 179.78 1ddb h LEU 35 N -1.01 0.15 -0.17 1.64 -0.00 -0.38 0.87 115.31 116.41 1ddb h LEU 35 Ca -0.06 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1ddb h LEU 35 Cb 0.57 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1ddb h LEU 35 CO 0.10 -0.01 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.39 1ddb h GLU 36 N 0.12 0.34 0.49 0.17 4.81 -1.27 3.25 114.58 122.48 1ddb h GLU 36 Ca 0.65 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1ddb h GLU 36 Cb 2.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.65 1ddb h GLU 36 CO -0.14 0.64 -0.24 -0.24 -0.73 0.00 0.00 179.01 178.30 1ddb h VAL 37 N 0.03 0.40 -0.03 0.32 3.04 0.11 0.87 116.25 120.98 1ddb h VAL 37 Ca 0.04 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1ddb h VAL 37 Cb 0.54 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ddb h VAL 37 CO 0.02 0.06 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.56 1ddb h LEU 38 N -0.95 0.06 -0.87 3.16 3.38 -0.46 -3.08 115.31 116.55 1ddb h LEU 38 Ca -0.07 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.58 1ddb h LEU 38 Cb 0.60 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1ddb h LEU 38 CO 0.11 0.42 0.55 1.23 0.09 0.00 0.00 178.44 180.84 1ddb h GLY 39 N -0.30 1.30 -7.29 0.83 0.00 0.59 -3.40 103.07 94.82 1ddb h GLY 39 Ca 0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 47.33 46.54 1ddb h GLY 39 CO 0.00 0.30 1.50 -2.13 0.00 0.00 0.00 176.54 176.21 1ddb n ARG 40 N -4.59 0.49 -3.75 4.80 0.00 0.30 -4.85 116.66 109.06 1ddb n ARG 40 Ca 0.12 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1ddb n ARG 40 Cb 0.15 -2.52 -0.14 0.00 0.00 0.00 0.00 32.46 29.95 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ddb s GLU 41 N 8.47 0.09 -0.45 -0.14 2.02 -1.26 -4.94 118.70 122.48 1ddb s GLU 41 Ca 1.15 0.35 -0.14 0.00 0.02 0.00 0.00 54.97 56.34 1ddb s GLU 41 Cb -0.62 -0.17 0.07 0.00 0.10 0.00 0.00 34.13 33.50 1ddb s GLU 41 CO 0.35 -0.16 0.36 -0.51 0.02 0.00 0.00 175.26 175.32 1ddb s LEU 42 N 1.12 5.47 0.00 1.80 2.01 -1.26 -4.85 118.68 122.97 1ddb s LEU 42 Ca -0.09 -1.28 0.00 0.00 0.01 0.00 0.00 54.13 52.77 1ddb s LEU 42 Cb -0.11 -2.15 0.00 0.00 0.01 0.00 0.00 46.19 43.94 1ddb s LEU 42 CO -0.06 -0.60 0.00 -0.81 1.01 0.00 0.00 176.35 175.90 1ddb n PRO 43 N 5.15 0.44 -2.88 1.29 -0.04 -1.26 -4.92 135.00 132.79 1ddb n PRO 43 Ca -0.12 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.91 1ddb n PRO 43 Cb 0.44 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.88 1ddb n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddb s VAL 44 N -0.37 4.70 0.00 0.52 1.01 -1.26 -4.47 120.40 120.52 1ddb s VAL 44 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1ddb s VAL 44 Cb 0.00 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.51 1ddb s VAL 44 CO 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 175.10 173.49 1ddb n GLN 45 N 6.64 0.00 0.00 2.72 1.13 -1.26 -5.00 117.38 121.61 1ddb n GLN 45 Ca 0.30 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1ddb n GLN 45 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.82 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 46 N -0.00 0.00 -0.97 -1.58 0.00 -1.26 -5.16 120.51 111.53 1ddb n ALA 46 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ddb n ALA 46 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N 0.00 -3.38 0.00 0.00 9.36 -1.26 -5.00 117.16 116.88 1ddb n TYR 47 Ca 0.00 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1ddb n TYR 47 Cb 0.00 -1.44 0.00 0.00 -0.63 0.00 0.00 39.34 37.27 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ddb n TRP 48 N -3.02 0.00 -1.76 2.98 5.03 -1.26 -5.04 117.44 114.37 1ddb n TRP 48 Ca -0.01 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.52 1ddb n TRP 48 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.92 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 1ddb n GLU 49 N -0.66 0.00 0.00 -0.99 2.13 -1.26 -5.19 120.64 114.67 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ddb n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb n ALA 50 N -3.00 0.00 -3.15 4.31 0.00 -1.26 -5.15 120.51 112.26 1ddb n ALA 50 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ddb n ALA 50 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ddb n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddb s ASP 51 N 0.00 -0.56 0.40 0.00 -1.08 -1.26 -5.15 116.67 109.02 1ddb s ASP 51 Ca 0.00 0.29 -0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1ddb s ASP 51 Cb 0.00 1.44 -0.11 0.00 -1.46 0.00 0.00 42.92 42.79 1ddb s ASP 51 CO 0.00 -0.10 -0.11 0.00 0.52 0.00 0.00 175.17 175.47 1ddb n LEU 52 N 5.41 -2.86 -5.02 -1.34 -0.00 -1.26 -4.94 117.00 106.99 1ddb n LEU 52 Ca -0.04 0.49 -0.18 0.00 -0.00 0.00 0.00 56.01 56.28 1ddb n LEU 52 Cb 0.54 -0.64 0.03 0.00 -0.00 0.00 0.00 43.42 43.35 1ddb n LEU 52 CO -0.10 -3.68 0.22 -0.70 -0.00 0.00 0.00 177.39 173.13 1ddb s GLU 53 N -0.79 2.65 0.38 1.47 2.56 -1.26 -5.13 118.70 118.57 1ddb s GLU 53 Ca 0.43 -1.35 0.06 0.00 0.00 0.00 0.00 54.97 54.11 1ddb s GLU 53 Cb -0.37 -2.71 -0.07 0.00 2.00 0.00 0.00 34.13 32.97 1ddb s GLU 53 CO 0.51 -0.48 0.01 0.34 -0.56 0.00 0.00 175.26 175.08 1ddb s ASP 54 N -4.46 3.50 0.37 -1.70 2.15 -1.26 -5.16 116.67 110.12 1ddb s ASP 54 Ca 0.57 -1.36 -0.08 0.00 0.43 0.00 0.00 52.55 52.12 1ddb s ASP 54 Cb -0.09 -0.32 0.03 0.00 -0.30 0.00 0.00 42.92 42.25 1ddb s ASP 54 CO 0.35 -0.47 0.63 -1.84 -0.17 0.00 0.00 175.17 173.68 1ddb n GLU 55 N -0.88 0.91 -3.83 4.34 0.28 -1.26 -5.19 120.64 115.01 1ddb n GLU 55 Ca -0.04 -2.55 -0.13 0.00 -0.16 0.00 0.00 57.16 54.28 1ddb n GLU 55 Cb 0.67 2.75 -0.02 0.00 1.43 0.00 0.00 31.44 36.27 1ddb n GLU 55 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1ddb n LEU 56 N 0.00 0.00 -3.62 -1.84 -0.00 -1.26 -5.17 117.00 105.11 1ddb n LEU 56 Ca -0.04 -2.68 -0.04 0.00 -0.00 0.00 0.00 56.01 53.26 1ddb n LEU 56 Cb 0.59 2.65 -0.06 0.00 -0.00 0.00 0.00 43.42 46.60 1ddb n LEU 56 CO 0.29 -0.66 0.44 0.00 -0.00 0.00 0.00 177.39 177.46 1ddb s GLN 57 N -2.64 0.55 0.00 1.47 0.00 -1.26 -5.17 119.66 112.61 1ddb s GLN 57 Ca 0.25 1.08 0.00 0.00 -0.00 0.00 0.00 55.36 56.70 1ddb s GLN 57 Cb -0.02 0.32 0.00 0.00 0.00 0.00 0.00 33.01 33.31 1ddb s GLN 57 CO 0.18 -0.14 0.00 0.25 0.00 0.00 0.00 175.29 175.59 1ddb n THR 58 N 4.48 0.00 -3.56 3.63 -2.24 -1.26 -5.13 114.28 110.20 1ddb n THR 58 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1ddb n THR 58 Cb 0.56 -1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.13 1ddb n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ddb s ASP 59 N -1.00 -0.42 0.00 3.42 1.47 -1.26 -5.14 116.67 113.75 1ddb s ASP 59 Ca 0.00 0.04 0.00 0.00 1.18 0.00 0.00 52.55 53.77 1ddb s ASP 59 Cb 0.00 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.09 1ddb s ASP 59 CO 0.00 -0.79 0.00 0.61 0.68 0.00 0.00 175.17 175.67 1ddb n GLY 60 N 0.14 1.19 0.07 2.12 0.00 -1.26 -5.16 105.19 102.29 1ddb n GLY 60 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 61 N 0.00 -0.40 0.04 1.61 3.41 -1.26 -5.06 113.62 111.95 1ddb n SER 61 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ddb n SER 61 Cb 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1ddb n SER 61 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1ddb n GLN 62 N -1.74 0.00 -1.64 4.33 7.27 -1.26 -5.05 117.38 119.29 1ddb n GLN 62 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.61 1ddb n GLN 62 Cb 0.03 -0.04 -0.04 0.00 2.41 0.00 0.00 30.24 32.59 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb n ALA 63 N -2.81 1.21 -3.57 1.69 0.00 -1.26 -4.91 120.51 110.85 1ddb n ALA 63 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1ddb n ALA 63 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 19.45 16.78 1ddb n ALA 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ddb s SER 64 N 5.23 -0.72 0.12 0.00 0.01 -1.26 -5.16 113.70 111.92 1ddb s SER 64 Ca 0.95 1.07 -0.12 0.00 1.31 0.00 0.00 55.95 59.16 1ddb s SER 64 Cb -0.59 1.57 -0.06 0.00 0.21 0.00 0.00 66.02 67.14 1ddb s SER 64 CO 0.47 -0.16 0.48 -0.60 0.41 0.00 0.00 173.24 173.84 1ddb s ARG 65 N 1.99 3.88 -0.57 12.44 3.52 -1.26 -4.93 118.95 134.03 1ddb s ARG 65 Ca -0.07 0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.57 1ddb s ARG 65 Cb -0.06 -2.95 -0.16 0.00 -1.56 0.00 0.00 34.95 30.21 1ddb s ARG 65 CO -0.17 0.51 1.90 -1.13 -0.81 0.00 0.00 175.30 175.59 1ddb n SER 66 N 0.83 0.44 -2.88 -2.12 3.41 -1.26 -4.77 113.62 107.26 1ddb n SER 66 Ca -0.06 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1ddb n SER 66 Cb 0.52 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1ddb n SER 66 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ddb s PHE 67 N 5.81 -0.19 0.00 7.33 5.36 -1.26 -5.17 117.98 129.86 1ddb s PHE 67 Ca 1.01 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1ddb s PHE 67 Cb -1.11 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 1ddb s PHE 67 CO 0.47 -0.12 0.00 0.09 -1.46 0.00 0.00 175.22 174.20 1ddb n ASN 68 N 4.16 0.00 -2.68 6.13 4.13 -1.26 -5.12 115.26 120.63 1ddb n ASN 68 Ca 0.07 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.29 1ddb n ASN 68 Cb 0.62 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.92 1ddb n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ddb n GLN 69 N -0.19 0.17 0.00 3.52 6.02 -1.26 -5.15 117.38 120.49 1ddb n GLN 69 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1ddb n GLN 69 Cb 0.00 -0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.05 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddb n GLY 70 N 1.95 2.61 2.72 1.08 0.00 -1.26 -5.07 105.19 107.21 1ddb n GLY 70 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1ddb n GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ddb n ARG 71 N -0.20 1.36 -3.30 1.61 0.63 -1.26 -5.12 116.66 110.39 1ddb n ARG 71 Ca 0.00 -2.51 -0.34 0.00 -0.92 0.00 0.00 57.85 54.08 1ddb n ARG 71 Cb 0.00 -0.67 -0.06 0.00 0.45 0.00 0.00 32.46 32.19 1ddb n ARG 71 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ddb s ILE 72 N -1.76 4.80 0.27 5.15 1.09 -1.26 -5.08 121.20 124.41 1ddb s ILE 72 Ca 0.22 0.83 0.03 0.00 -1.10 0.00 0.00 60.65 60.62 1ddb s ILE 72 Cb 0.41 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 1ddb s ILE 72 CO -0.05 0.09 0.42 -1.61 -0.10 0.00 0.00 174.94 173.69 1ddb s GLU 73 N -2.35 3.47 0.64 2.79 8.01 -1.26 -5.09 118.70 124.90 1ddb s GLU 73 Ca 0.44 -0.55 -0.13 0.00 0.01 0.00 0.00 54.97 54.73 1ddb s GLU 73 Cb -0.13 -2.81 -0.02 0.00 -4.31 0.00 0.00 34.13 26.86 1ddb s GLU 73 CO 0.20 0.33 1.05 -1.25 0.01 0.00 0.00 175.26 175.60 1ddb s PRO 74 N -3.97 3.18 -0.27 0.39 0.04 -1.26 -5.07 135.00 128.04 1ddb s PRO 74 Ca 0.37 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1ddb s PRO 74 Cb -0.10 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.58 1ddb s PRO 74 CO 0.31 -0.91 0.51 -0.51 0.04 0.00 0.00 177.00 176.44 1ddb s ASP 75 N -3.29 -0.67 -0.15 6.66 1.01 -1.26 -5.14 116.67 113.83 1ddb s ASP 75 Ca 0.61 0.69 -0.06 0.00 0.71 0.00 0.00 52.55 54.50 1ddb s ASP 75 Cb -0.15 1.72 0.07 0.00 1.01 0.00 0.00 42.92 45.57 1ddb s ASP 75 CO 0.45 -0.27 0.32 -0.44 0.21 0.00 0.00 175.17 175.44 1ddb s SER 76 N 2.73 -0.02 -0.19 0.27 0.01 -1.26 -5.14 113.70 110.10 1ddb s SER 76 Ca 0.14 0.73 0.01 0.00 1.31 0.00 0.00 55.95 58.14 1ddb s SER 76 Cb -0.15 0.83 0.02 0.00 0.21 0.00 0.00 66.02 66.93 1ddb s SER 76 CO -0.18 -0.22 -0.19 -1.83 0.41 0.00 0.00 173.24 171.23 1ddb s GLU 77 N 2.15 2.98 -0.29 12.44 1.03 -1.26 -5.06 118.70 130.68 1ddb s GLU 77 Ca -0.03 -0.84 0.01 0.00 0.03 0.00 0.00 54.97 54.14 1ddb s GLU 77 Cb -0.11 -2.61 0.19 0.00 -0.80 0.00 0.00 34.13 30.81 1ddb s GLU 77 CO -0.10 -0.22 0.67 0.45 -1.33 0.00 0.00 175.26 174.73 1ddb s SER 78 N 1.29 -1.37 -0.07 0.83 0.15 -1.26 -5.14 113.70 108.13 1ddb s SER 78 Ca 0.04 0.34 -0.00 0.00 0.70 0.00 0.00 55.95 57.03 1ddb s SER 78 Cb -0.13 1.94 0.03 0.00 -1.71 0.00 0.00 66.02 66.14 1ddb s SER 78 CO -0.12 -0.25 -0.03 -1.10 1.20 0.00 0.00 173.24 172.94 1ddb s GLN 79 N 2.86 0.84 0.66 5.44 -1.52 -1.26 -5.14 119.66 121.54 1ddb s GLN 79 Ca 0.14 -0.02 -0.11 0.00 -1.95 0.00 0.00 55.36 53.42 1ddb s GLN 79 Cb -0.10 -1.03 -0.01 0.00 -0.22 0.00 0.00 33.01 31.65 1ddb s GLN 79 CO -0.24 -0.22 1.05 -1.21 -0.25 0.00 0.00 175.29 174.42 1ddb s GLU 80 N 1.57 3.21 0.09 2.91 2.02 -1.26 -4.80 118.70 122.45 1ddb s GLU 80 Ca -0.00 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1ddb s GLU 80 Cb -0.13 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1ddb s GLU 80 CO -0.04 -0.85 0.00 0.39 0.02 0.00 0.00 175.26 174.78 1ddb n GLU 81 N -2.94 -3.74 -0.11 1.61 4.71 -1.26 -4.90 120.64 114.02 1ddb n GLU 81 Ca 0.07 2.83 -0.16 0.00 -0.01 0.00 0.00 57.16 59.88 1ddb n GLU 81 Cb 0.54 -3.12 -0.13 0.00 -1.01 0.00 0.00 31.44 27.72 1ddb n GLU 81 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1ddb n ILE 82 N 1.29 1.49 0.06 -3.67 -5.35 -1.26 -3.97 119.36 107.94 1ddb n ILE 82 Ca 0.00 -0.65 -0.13 0.00 -0.27 0.00 0.00 62.75 61.70 1ddb n ILE 82 Cb 0.00 -1.20 -0.06 0.00 -1.74 0.00 0.00 39.64 36.65 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1ddb h ILE 83 N 0.01 0.23 -0.97 7.28 5.03 -2.00 0.30 117.51 127.38 1ddb h ILE 83 Ca -0.55 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.31 1ddb h ILE 83 Cb 2.00 0.23 -0.08 0.00 -3.03 0.00 0.00 36.82 35.94 1ddb h ILE 83 CO -0.04 0.00 0.62 0.45 -0.68 0.00 0.00 178.15 178.49 1ddb h HIS 84 N -0.52 1.06 -0.71 1.37 3.86 -1.94 0.66 115.15 118.93 1ddb h HIS 84 Ca 0.05 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 1ddb h HIS 84 Cb 0.61 -0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 1ddb h HIS 84 CO -0.38 0.42 0.34 -0.97 0.86 0.00 0.00 177.93 178.20 1ddb h ASN 85 N 0.93 0.43 -0.45 2.45 -0.73 -1.13 0.24 115.58 117.31 1ddb h ASN 85 Ca 0.48 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.70 1ddb h ASN 85 Cb 0.53 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 1ddb h ASN 85 CO -0.24 0.24 0.24 -0.29 -0.37 0.00 0.00 177.43 177.00 1ddb h ILE 86 N 0.57 1.16 0.65 2.57 6.09 0.48 0.42 117.51 129.45 1ddb h ILE 86 Ca 0.35 -0.44 -0.02 0.00 -1.37 0.00 0.00 64.86 63.38 1ddb h ILE 86 Cb 0.39 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 38.21 1ddb h ILE 86 CO -0.28 0.18 -0.45 0.00 -3.07 0.00 0.00 178.15 174.53 1ddb h ALA 87 N 1.59 -1.11 -0.55 0.18 0.00 0.00 -0.56 119.26 118.81 1ddb h ALA 87 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ddb h ALA 87 Cb 0.06 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ddb h ALA 87 CO -0.02 -1.15 0.11 0.07 0.00 0.00 0.00 179.25 178.25 1ddb h ARG 88 N -1.05 0.86 -0.16 0.00 0.11 -1.06 -1.44 114.38 111.65 1ddb h ARG 88 Ca -0.08 -0.19 0.05 0.00 0.10 0.00 0.00 59.98 59.85 1ddb h ARG 88 Cb 0.87 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 1ddb h ARG 88 CO 0.05 0.79 0.18 1.25 0.10 0.00 0.00 179.97 182.33 1ddb h HIS 89 N 0.82 0.00 0.52 4.08 2.76 0.21 -2.04 115.15 121.50 1ddb h HIS 89 Ca 0.17 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1ddb h HIS 89 Cb 0.34 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1ddb h HIS 89 CO 0.02 0.00 -0.51 1.25 -1.30 0.00 0.00 177.93 177.39 1ddb h LEU 90 N 0.00 -1.40 -0.09 0.26 5.85 0.04 0.14 115.31 120.10 1ddb h LEU 90 Ca 0.07 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1ddb h LEU 90 Cb 0.43 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1ddb h LEU 90 CO -0.00 -0.68 -0.17 0.00 -0.34 0.00 0.00 178.44 177.25 1ddb h ALA 91 N -0.92 -0.13 -1.11 1.25 0.00 -1.50 0.44 119.26 117.30 1ddb h ALA 91 Ca -0.07 0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.18 1ddb h ALA 91 Cb 0.89 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1ddb h ALA 91 CO -0.06 -0.63 0.73 0.37 0.00 0.00 0.00 179.25 179.66 1ddb h GLN 92 N -0.23 0.27 -0.14 0.00 4.15 -1.19 1.42 115.11 119.38 1ddb h GLN 92 Ca 0.08 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1ddb h GLN 92 Cb 0.35 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1ddb h GLN 92 CO -0.23 0.18 -0.51 0.82 -1.93 0.00 0.00 178.83 177.16 1ddb h ILE 93 N 0.27 1.34 0.13 2.39 1.08 0.14 -2.42 117.51 120.44 1ddb h ILE 93 Ca 0.62 -1.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.34 1ddb h ILE 93 Cb 1.80 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 37.32 1ddb h ILE 93 CO -0.26 0.53 -0.17 1.23 -0.69 0.00 0.00 178.15 178.80 1ddb h GLY 94 N 1.23 -0.33 1.00 5.37 0.00 0.29 1.12 103.07 111.76 1ddb h GLY 94 Ca 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1ddb h GLY 94 CO 0.09 -0.16 -0.12 -1.80 0.00 0.00 0.00 176.54 174.54 1ddb h ASP 95 N -0.35 -0.29 -0.91 0.19 3.58 -1.41 -2.23 116.42 115.01 1ddb h ASP 95 Ca 0.01 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.54 1ddb h ASP 95 Cb 0.35 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.40 1ddb h ASP 95 CO -0.07 -0.20 0.56 -0.08 -2.88 0.00 0.00 179.24 176.57 1ddb h GLU 96 N -0.34 0.97 -0.69 0.28 4.22 -1.22 -1.63 114.58 116.17 1ddb h GLU 96 Ca -0.03 -0.06 0.12 0.00 0.08 0.00 0.00 59.36 59.46 1ddb h GLU 96 Cb 0.26 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1ddb h GLU 96 CO 0.06 0.64 0.28 0.52 -2.18 0.00 0.00 179.01 178.33 1ddb h MET 97 N 1.00 0.44 -1.78 1.92 2.86 0.18 0.86 114.93 120.40 1ddb h MET 97 Ca 0.40 -0.03 0.52 0.00 -2.06 0.00 0.00 59.70 58.54 1ddb h MET 97 Cb 0.22 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1ddb h MET 97 CO -0.19 0.29 1.35 -3.47 1.06 0.00 0.00 176.91 175.94 1ddb n ASP 98 N -4.98 0.00 -0.04 1.22 2.03 -0.61 0.14 116.55 114.31 1ddb n ASP 98 Ca 0.12 0.92 -0.09 0.00 0.52 0.00 0.00 54.79 56.26 1ddb n ASP 98 Cb 0.34 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.27 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ddb h HIS 99 N 0.00 -0.68 -1.91 -0.67 2.76 -0.94 -3.37 115.15 110.34 1ddb h HIS 99 Ca 0.85 0.04 -0.39 0.00 -2.20 0.00 0.00 60.37 58.66 1ddb h HIS 99 Cb 3.53 0.34 -0.31 0.00 1.55 0.00 0.00 27.41 32.52 1ddb h HIS 99 CO 0.00 -0.33 -0.73 1.21 -1.30 0.00 0.00 177.93 176.77 1ddb s ASN 100 N -5.01 0.84 -0.69 3.26 3.84 0.38 -5.04 114.94 112.52 1ddb s ASN 100 Ca -0.15 -2.01 0.05 0.00 0.21 0.00 0.00 52.86 50.96 1ddb s ASN 100 Cb 0.12 0.51 0.23 0.00 -0.55 0.00 0.00 41.25 41.56 1ddb s ASN 100 CO 0.68 -0.20 0.73 0.00 -2.79 0.00 0.00 177.10 175.51 1ddb n ILE 101 N 3.66 2.37 0.00 -5.21 3.06 -1.06 -4.70 119.36 117.49 1ddb n ILE 101 Ca 0.17 -5.18 0.00 0.00 -2.50 0.00 0.00 62.75 55.24 1ddb n ILE 101 Cb 0.47 -2.13 0.00 0.00 0.54 0.00 0.00 39.64 38.52 1ddb n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ddb n GLN 102 N 1.17 0.00 0.00 9.51 6.02 -1.26 -3.96 117.38 128.86 1ddb n GLN 102 Ca 0.27 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.30 1ddb n GLN 102 Cb 0.39 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.85 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ddb n PRO 103 N 0.00 0.75 0.00 -1.09 -0.04 -1.26 -3.78 135.00 129.57 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.64 0.00 0.00 0.52 5.66 -1.26 -4.96 114.28 113.60 1ddb n THR 104 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1ddb n THR 104 Cb 0.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 4.77 -1.25 -5.05 117.00 116.56 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ddb n LEU 105 CO 0.00 0.00 0.16 0.52 -1.33 0.00 0.00 177.39 176.74 1ddb n VAL 106 N -0.57 0.00 0.26 4.08 0.31 -1.26 -2.05 118.33 119.10 1ddb n VAL 106 Ca 0.00 0.74 0.12 0.00 -0.01 0.00 0.00 64.34 65.19 1ddb n VAL 106 Cb 0.00 -1.58 0.64 0.00 -0.91 0.00 0.00 33.84 31.99 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ddb h ARG 107 N 0.00 0.00 0.04 5.55 1.12 -1.95 0.04 114.38 119.18 1ddb h ARG 107 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ddb h ARG 107 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1ddb h ARG 107 CO 0.00 0.00 -0.02 0.37 -3.11 0.00 0.00 179.97 177.21 1ddb h GLN 108 N 0.00 -0.05 0.90 0.20 -0.00 -1.78 0.26 115.11 114.63 1ddb h GLN 108 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1ddb h GLN 108 Cb 0.59 0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.10 1ddb h GLN 108 CO 0.00 0.12 -0.43 1.37 0.00 0.00 0.00 178.83 179.89 1ddb h LEU 109 N -0.22 -1.02 -1.23 -2.39 8.10 -0.39 -0.06 115.31 118.11 1ddb h LEU 109 Ca -0.01 0.04 0.26 0.00 0.11 0.00 0.00 57.88 58.28 1ddb h LEU 109 Cb 0.20 0.26 -0.11 0.00 -0.44 0.00 0.00 40.66 40.57 1ddb h LEU 109 CO 0.01 -0.67 0.65 0.00 -4.11 0.00 0.00 178.44 174.31 1ddb h ALA 110 N -1.33 2.08 0.00 0.17 0.00 -1.56 2.50 119.26 121.12 1ddb h ALA 110 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ddb h ALA 110 Cb 0.92 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ddb h ALA 110 CO 0.20 -0.52 -0.16 0.00 0.00 0.00 0.00 179.25 178.78 1ddb h ALA 111 N 1.66 1.05 -0.03 0.00 0.00 -0.10 -2.94 119.26 118.91 1ddb h ALA 111 Ca 0.62 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1ddb h ALA 111 Cb 1.43 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1ddb h ALA 111 CO -0.37 0.19 -0.18 -0.56 0.00 0.00 0.00 179.25 178.34 1ddb h GLN 112 N 0.00 -0.26 -0.46 0.00 3.07 0.63 -2.41 115.11 115.67 1ddb h GLN 112 Ca -0.00 0.02 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 1ddb h GLN 112 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.23 1ddb h GLN 112 CO 0.02 -0.18 -0.21 0.27 0.09 0.00 0.00 178.83 178.83 1ddb h PHE 113 N -0.27 1.05 0.00 0.06 -5.15 -1.47 -3.36 116.94 107.80 1ddb h PHE 113 Ca 0.07 -0.25 -0.24 0.00 -0.20 0.00 0.00 57.97 57.35 1ddb h PHE 113 Cb 0.36 -0.25 0.06 0.00 0.22 0.00 0.00 35.95 36.34 1ddb h PHE 113 CO -0.24 1.04 0.97 -0.12 -2.00 0.00 0.00 178.31 177.95 1ddb n MET 114 N -4.11 0.00 -3.89 6.09 1.56 -0.91 -4.66 117.12 111.20 1ddb n MET 114 Ca 0.00 -0.58 -0.10 0.00 -0.27 0.00 0.00 57.70 56.76 1ddb n MET 114 Cb 0.45 -1.95 -0.09 0.00 2.15 0.00 0.00 33.22 33.77 1ddb n MET 114 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1ddb s ASN 115 N 5.09 0.11 0.61 6.12 4.22 -1.26 -4.97 114.94 124.85 1ddb s ASN 115 Ca 0.28 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.54 1ddb s ASN 115 Cb 0.06 0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.85 1ddb s ASN 115 CO 0.14 -0.55 0.00 0.61 -2.04 0.00 0.00 177.10 175.27 1ddb n GLY 116 N 0.67 -3.73 0.37 0.45 0.00 -1.26 -4.31 105.19 97.38 1ddb n GLY 116 Ca -0.19 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 44.96 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 117 N -3.43 1.06 -2.70 1.61 3.41 -1.26 -4.47 113.62 107.85 1ddb n SER 117 Ca -0.04 -2.01 0.02 0.00 -0.26 0.00 0.00 58.87 56.57 1ddb n SER 117 Cb 0.58 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1ddb n SER 117 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1ddb s LEU 118 N -0.99 -0.12 -0.02 1.04 0.05 -1.26 -4.66 118.68 112.71 1ddb s LEU 118 Ca 0.13 -0.06 -0.00 0.00 0.05 0.00 0.00 54.13 54.24 1ddb s LEU 118 Cb 0.07 0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 44.33 1ddb s LEU 118 CO 0.08 -0.01 0.03 -0.55 -0.55 0.00 0.00 176.35 175.35 1ddb s SER 119 N 1.99 5.37 -1.64 1.48 0.15 -1.26 -4.39 113.70 115.40 1ddb s SER 119 Ca 0.14 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1ddb s SER 119 Cb 0.04 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1ddb s SER 119 CO -0.16 0.30 0.00 1.21 1.20 0.00 0.00 173.24 175.79 1ddb n GLU 120 N 1.50 -1.48 -3.41 5.44 4.07 -1.26 -3.06 120.64 122.44 1ddb n GLU 120 Ca -0.15 0.93 -0.14 0.00 -0.06 0.00 0.00 57.16 57.74 1ddb n GLU 120 Cb 0.53 -5.45 0.01 0.00 -0.06 0.00 0.00 31.44 26.47 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ddb n GLU 121 N -2.77 -1.41 0.00 5.31 4.71 -1.26 -4.96 120.64 120.26 1ddb n GLU 121 Ca -0.22 1.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.99 1ddb n GLU 121 Cb 0.66 -4.35 0.00 0.00 -1.01 0.00 0.00 31.44 26.75 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ddb n ASP 122 N -2.26 0.00 -4.40 1.62 9.92 -1.17 -5.00 116.55 115.25 1ddb n ASP 122 Ca -0.12 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.75 1ddb n ASP 122 Cb 0.58 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.04 1ddb n ASP 122 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ddb n LYS 123 N 0.00 2.61 0.00 -1.24 0.00 -1.26 -2.42 118.16 115.84 1ddb n LYS 123 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 58.31 55.44 1ddb n LYS 123 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 35.03 31.54 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1ddb n ARG 124 N 7.96 0.00 -0.16 1.64 -4.01 -1.26 -4.97 116.66 115.86 1ddb n ARG 124 Ca 0.48 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 57.18 1ddb n ARG 124 Cb 0.45 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.87 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 1ddb h ASN 125 N 0.00 1.01 -0.23 2.89 -1.24 -1.76 -2.71 115.58 113.54 1ddb h ASN 125 Ca 0.00 -0.39 0.06 0.00 0.71 0.00 0.00 56.30 56.68 1ddb h ASN 125 Cb 0.00 -0.28 -0.07 0.00 0.73 0.00 0.00 38.32 38.70 1ddb h ASN 125 CO 0.00 1.17 -0.35 0.00 -1.29 0.00 0.00 177.43 176.97 1ddb n LEU 127 N -5.42 0.00 -0.52 0.00 -0.00 -1.16 -0.58 117.00 109.32 1ddb n LEU 127 Ca -0.02 0.97 0.45 0.00 -0.00 0.00 0.00 56.01 57.41 1ddb n LEU 127 Cb 0.34 -0.47 0.78 0.00 -0.00 0.00 0.00 43.42 44.06 1ddb n LEU 127 CO 0.12 -0.47 1.41 0.00 -0.00 0.00 0.00 177.39 178.45 1ddb h ALA 128 N -1.59 3.51 0.00 1.47 0.00 -1.19 4.28 119.26 125.74 1ddb h ALA 128 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ddb h ALA 128 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ddb h ALA 128 CO 0.00 -2.01 -0.14 -0.22 0.00 0.00 0.00 179.25 176.89 1ddb h LYS 129 N 0.00 0.00 -0.06 0.00 3.64 0.30 -2.30 116.57 118.15 1ddb h LYS 129 Ca 0.76 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 60.09 1ddb h LYS 129 Cb 3.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.94 1ddb h LYS 129 CO -0.01 0.14 -0.17 0.00 -2.27 0.00 0.00 179.45 177.14 1ddb h ALA 130 N 1.86 0.10 -0.97 5.00 0.00 0.90 -2.54 119.26 123.61 1ddb h ALA 130 Ca -0.00 -0.37 0.26 0.00 0.00 0.00 0.00 54.91 54.79 1ddb h ALA 130 Cb 0.27 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 1ddb h ALA 130 CO 0.02 0.03 -0.00 1.25 0.00 0.00 0.00 179.25 180.55 1ddb h LEU 131 N -0.31 -0.51 -0.49 0.00 5.85 -1.25 2.78 115.31 121.38 1ddb h LEU 131 Ca -0.00 0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 1ddb h LEU 131 Cb 0.79 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1ddb h LEU 131 CO 0.04 -0.34 -0.30 -0.78 -0.34 0.00 0.00 178.44 176.72 1ddb h ASP 132 N 0.02 0.97 0.55 1.25 1.82 -1.52 -2.24 116.42 117.26 1ddb h ASP 132 Ca 0.57 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1ddb h ASP 132 Cb 1.14 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.89 1ddb h ASP 132 CO -0.91 1.18 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.30 1ddb h GLU 133 N 0.78 -0.72 -0.96 0.28 5.08 0.34 0.27 114.58 119.65 1ddb h GLU 133 Ca 0.09 0.05 0.31 0.00 -1.00 0.00 0.00 59.36 58.80 1ddb h GLU 133 Cb 0.87 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 30.12 1ddb h GLU 133 CO 0.08 -0.48 0.38 -0.24 -1.00 0.00 0.00 179.01 177.75 1ddb h VAL 134 N -1.09 0.20 -0.11 3.13 3.04 0.39 2.09 116.25 123.89 1ddb h VAL 134 Ca -0.08 -0.06 -0.17 0.00 -1.01 0.00 0.00 66.70 65.38 1ddb h VAL 134 Cb 0.57 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1ddb h VAL 134 CO 0.12 0.03 -0.66 0.50 -1.01 0.00 0.00 177.57 176.56 1ddb h LYS 135 N 0.17 0.43 -0.20 4.17 3.64 -1.34 0.64 116.57 124.09 1ddb h LYS 135 Ca 0.68 -0.32 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 1ddb h LYS 135 Cb 1.56 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1ddb h LYS 135 CO -0.71 0.94 0.20 0.00 -2.27 0.00 0.00 179.45 177.61 1ddb h THR 136 N 0.31 0.55 0.00 1.00 1.03 0.70 0.99 112.91 117.50 1ddb h THR 136 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 66.41 65.98 1ddb h THR 136 Cb 1.21 0.85 -0.06 0.00 -1.07 0.00 0.00 68.15 69.08 1ddb h THR 136 CO 0.11 0.00 -2.35 0.00 -0.01 0.00 0.00 175.52 173.28 1ddb n ALA 137 N -2.39 1.41 -3.02 0.00 0.00 -0.36 -4.72 120.51 111.44 1ddb n ALA 137 Ca 0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.20 1ddb n ALA 137 Cb 0.33 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -4.10 3.82 -1.93 0.00 -1.74 0.22 -5.07 117.46 108.66 1ddb n PHE 138 Ca -0.48 -3.88 -0.32 0.00 -0.56 0.00 0.00 57.45 52.22 1ddb n PHE 138 Cb 0.84 -0.59 0.02 0.00 1.52 0.00 0.00 39.48 41.27 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.31 3.26 0.00 3.97 0.04 0.34 -3.85 135.00 135.44 1ddb s PRO 139 Ca 0.46 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1ddb s PRO 139 Cb 0.24 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ddb s PRO 139 CO -0.10 -0.85 0.00 0.54 0.04 0.00 0.00 177.00 176.62 1ddb n ARG 140 N -2.33 -1.43 0.00 4.56 1.74 -1.26 -4.41 116.66 113.53 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 2.85 0.00 0.08 0.55 8.00 -1.26 -3.12 116.55 123.64 1ddb n ASP 141 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1ddb n ASP 141 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 41.54 1ddb n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddb h MET 142 N 0.00 0.36 0.46 -1.24 -0.00 -1.98 1.48 114.93 114.01 1ddb h MET 142 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.63 1ddb h MET 142 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.53 1ddb h MET 142 CO 0.00 0.32 -0.22 1.49 -0.00 0.00 0.00 176.91 178.50 1ddb h GLU 143 N 0.36 -0.60 0.57 -0.10 4.81 -1.94 -1.68 114.58 116.00 1ddb h GLU 143 Ca 0.09 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1ddb h GLU 143 Cb 0.12 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ddb h GLU 143 CO -0.01 -0.40 -0.27 -0.97 -0.73 0.00 0.00 179.01 176.63 1ddb h ASN 144 N -0.94 -0.65 -0.99 1.04 -1.24 -1.64 0.11 115.58 111.26 1ddb h ASN 144 Ca -0.06 -0.01 0.17 0.00 0.71 0.00 0.00 56.30 57.11 1ddb h ASN 144 Cb 0.48 0.17 -0.17 0.00 0.73 0.00 0.00 38.32 39.53 1ddb h ASN 144 CO 0.10 -0.25 -0.35 -0.67 -1.29 0.00 0.00 177.43 174.97 1ddb n ASP 145 N -5.29 -0.56 0.20 1.15 -0.08 0.51 0.35 116.55 112.82 1ddb n ASP 145 Ca -0.10 1.72 0.04 0.00 -1.51 0.00 0.00 54.79 54.94 1ddb n ASP 145 Cb 0.32 -0.43 0.41 0.00 2.34 0.00 0.00 41.12 43.75 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ddb h LYS 146 N 0.00 0.00 0.82 -0.67 3.64 -1.30 -2.36 116.57 116.70 1ddb h LYS 146 Ca 0.38 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1ddb h LYS 146 Cb 0.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1ddb h LYS 146 CO -1.00 0.32 -0.39 0.00 -2.27 0.00 0.00 179.45 176.11 1ddb h ALA 147 N 1.68 -1.10 -0.76 5.00 0.00 0.87 -2.17 119.26 122.77 1ddb h ALA 147 Ca -0.00 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1ddb h ALA 147 Cb 0.58 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1ddb h ALA 147 CO 0.04 -1.04 0.28 0.00 0.00 0.00 0.00 179.25 178.53 1ddb h MET 148 N -1.27 0.39 -0.77 0.00 -0.00 0.09 0.16 114.93 113.54 1ddb h MET 148 Ca -0.11 -0.02 0.12 0.00 -0.00 0.00 0.00 59.70 59.68 1ddb h MET 148 Cb 0.85 -0.09 -0.08 0.00 -0.00 0.00 0.00 31.60 32.28 1ddb h MET 148 CO 0.19 0.26 0.37 -0.07 -0.00 0.00 0.00 176.91 177.65 1ddb h LEU 149 N 0.40 0.44 -1.85 -0.10 -0.00 -1.32 0.52 115.31 113.40 1ddb h LEU 149 Ca 0.43 0.08 0.18 0.00 -0.00 0.00 0.00 57.88 58.57 1ddb h LEU 149 Cb 0.68 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.32 1ddb h LEU 149 CO -0.44 0.21 0.49 0.16 -0.00 0.00 0.00 178.44 178.86 1ddb h ILE 150 N 0.57 0.71 0.39 1.22 -0.00 -0.00 -1.18 117.51 119.21 1ddb h ILE 150 Ca 0.40 -0.05 -0.02 0.00 -0.00 0.00 0.00 64.86 65.19 1ddb h ILE 150 Cb 0.52 0.55 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 1ddb h ILE 150 CO -0.33 0.03 -0.18 0.24 -0.00 0.00 0.00 178.15 177.90 1ddb h MET 151 N 0.14 -0.50 -0.83 0.16 0.00 0.24 -0.01 114.93 114.13 1ddb h MET 151 Ca 0.34 0.03 0.15 0.00 0.00 0.00 0.00 59.70 60.22 1ddb h MET 151 Cb 1.13 0.11 -0.15 0.00 0.00 0.00 0.00 31.60 32.70 1ddb h MET 151 CO -0.05 -0.23 -0.31 0.00 0.00 0.00 0.00 176.91 176.33 1ddb h THR 152 N -0.71 0.10 0.00 2.22 1.03 -1.00 1.36 112.91 115.91 1ddb h THR 152 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.29 1ddb h THR 152 Cb 0.50 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 1ddb h THR 152 CO 0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 175.52 175.34 1ddb h MET 153 N -0.05 0.00 0.04 0.00 -0.00 -1.46 -3.05 114.93 110.41 1ddb h MET 153 Ca 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 60.05 1ddb h MET 153 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.18 1ddb h MET 153 CO -0.86 0.26 -0.11 1.25 -0.00 0.00 0.00 176.91 177.45 1ddb h LEU 154 N 0.00 -0.32 0.06 -0.10 7.12 0.38 0.97 115.31 123.41 1ddb h LEU 154 Ca -0.00 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.08 1ddb h LEU 154 Cb 0.67 0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.88 1ddb h LEU 154 CO 0.03 -0.17 -0.42 -0.07 -0.13 0.00 0.00 178.44 177.69 1ddb h LEU 155 N -0.21 -1.26 0.09 2.25 -0.00 -1.17 0.20 115.31 115.22 1ddb h LEU 155 Ca 0.03 0.15 0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1ddb h LEU 155 Cb 0.24 0.48 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 1ddb h LEU 155 CO -0.09 -0.47 -0.23 0.00 -0.00 0.00 0.00 178.44 177.65 1ddb h ALA 156 N -0.10 -0.38 -0.77 1.53 0.00 -1.51 7.15 119.26 125.18 1ddb h ALA 156 Ca 0.03 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ddb h ALA 156 Cb 0.67 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1ddb h ALA 156 CO -0.28 -0.76 -0.36 -0.22 0.00 0.00 0.00 179.25 177.63 1ddb h LYS 157 N -0.42 -0.09 0.05 0.00 3.11 0.16 5.48 116.57 124.86 1ddb h LYS 157 Ca 0.03 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1ddb h LYS 157 Cb 0.45 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1ddb h LYS 157 CO -0.15 -0.06 -0.02 0.87 -2.81 0.00 0.00 179.45 177.28 1ddb h LYS 158 N -0.09 -0.07 -0.14 1.90 6.56 0.00 -3.32 116.57 121.41 1ddb h LYS 158 Ca 0.28 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.92 1ddb h LYS 158 Cb 0.57 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.18 1ddb h LYS 158 CO -0.82 0.25 -0.45 0.28 -2.06 0.00 0.00 179.45 176.66 1ddb h VAL 159 N -1.00 0.11 -0.63 0.50 2.07 1.55 17.04 116.25 135.88 1ddb h VAL 159 Ca -0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1ddb h VAL 159 Cb 0.35 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 1ddb h VAL 159 CO 0.01 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.93 1ddb n ALA 160 N -2.96 0.64 0.15 1.67 0.00 1.78 0.34 120.51 122.13 1ddb n ALA 160 Ca -0.04 0.65 0.02 0.00 0.00 0.00 0.00 53.44 54.06 1ddb n ALA 160 Cb 0.37 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -4.44 1.04 -0.11 0.00 7.64 0.53 -4.49 113.62 113.78 1ddb n SER 161 Ca 0.24 -0.46 -0.25 0.00 1.01 0.00 0.00 58.87 59.41 1ddb n SER 161 Cb 0.81 1.04 -0.11 0.00 -1.01 0.00 0.00 64.21 64.94 1ddb n SER 161 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ddb n HIS 162 N -1.21 0.63 -3.82 1.43 -0.00 5.22 -4.69 115.22 112.79 1ddb n HIS 162 Ca 0.00 0.26 -0.31 0.00 -0.00 0.00 0.00 57.72 57.68 1ddb n HIS 162 Cb 0.07 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 28.89 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -2.43 3.91 -1.65 1.57 0.00 1.03 -4.87 121.76 119.31 1ddb s ALA 163 Ca -0.32 -3.78 0.23 0.00 0.00 0.00 0.00 51.96 48.09 1ddb s ALA 163 Cb 0.09 -2.39 1.25 0.00 0.00 0.00 0.00 23.12 22.08 1ddb s ALA 163 CO 0.56 -2.11 1.76 -0.35 0.00 0.00 0.00 175.76 175.62 1ddb n PRO 164 N 2.22 0.49 0.01 0.00 -0.04 -1.21 -2.05 135.00 134.42 1ddb n PRO 164 Ca 0.19 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1ddb n PRO 164 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N -1.17 0.72 -2.17 3.54 7.64 -1.26 -4.15 113.62 116.76 1ddb n SER 165 Ca 0.14 -0.59 -0.29 0.00 1.01 0.00 0.00 58.87 59.14 1ddb n SER 165 Cb 0.14 0.96 0.04 0.00 -1.01 0.00 0.00 64.21 64.35 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 166 N -1.70 6.06 0.12 -3.43 4.77 -0.87 -4.79 117.00 117.16 1ddb n LEU 166 Ca 0.03 -4.59 -0.16 0.00 -0.03 0.00 0.00 56.01 51.26 1ddb n LEU 166 Cb 0.38 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1ddb n LEU 166 CO 0.42 1.86 0.51 0.17 -1.33 0.00 0.00 177.39 179.02 1ddb h LEU 167 N 2.14 -1.51 -0.61 2.23 -0.00 -1.72 2.72 115.31 118.57 1ddb h LEU 167 Ca 0.46 0.16 0.09 0.00 -0.00 0.00 0.00 57.88 58.60 1ddb h LEU 167 Cb 1.20 0.55 -0.07 0.00 -0.00 0.00 0.00 40.66 42.35 1ddb h LEU 167 CO 1.10 -0.54 0.22 0.08 -0.00 0.00 0.00 178.44 179.31 1ddb h ARG 168 N -0.73 0.39 -0.57 0.17 0.11 -1.91 0.40 114.38 112.24 1ddb h ARG 168 Ca -0.01 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 1ddb h ARG 168 Cb 0.73 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.70 1ddb h ARG 168 CO -0.26 0.26 0.11 0.22 0.10 0.00 0.00 179.97 180.39 1ddb h ASP 169 N 0.40 0.85 -0.33 0.08 3.58 -1.67 -2.17 116.42 117.16 1ddb h ASP 169 Ca 0.31 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.65 1ddb h ASP 169 Cb 0.38 -0.22 -0.08 0.00 1.72 0.00 0.00 39.33 41.12 1ddb h ASP 169 CO -0.31 0.85 -0.37 1.62 -2.88 0.00 0.00 179.24 178.15 1ddb h VAL 170 N 0.85 0.19 -0.19 2.25 3.04 0.70 0.49 116.25 123.58 1ddb h VAL 170 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1ddb h VAL 170 Cb 0.36 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1ddb h VAL 170 CO 0.00 0.00 0.12 -0.26 -1.01 0.00 0.00 177.57 176.43 1ddb h PHE 171 N -0.32 0.25 -0.89 3.17 -1.00 -1.22 -1.94 116.94 114.99 1ddb h PHE 171 Ca 0.14 0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.10 1ddb h PHE 171 Cb 0.56 -0.08 -0.07 0.00 3.61 0.00 0.00 35.95 39.97 1ddb h PHE 171 CO -0.54 0.18 0.58 1.25 -1.61 0.00 0.00 178.31 178.17 1ddb h HIS 172 N 0.24 0.69 -0.26 -0.55 2.76 -0.59 0.40 115.15 117.85 1ddb h HIS 172 Ca 0.07 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1ddb h HIS 172 Cb 0.00 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 1ddb h HIS 172 CO -0.06 0.22 0.12 1.15 -1.30 0.00 0.00 177.93 178.06 1ddb h THR 173 N 0.55 0.98 0.61 6.26 2.02 0.73 0.78 112.91 124.85 1ddb h THR 173 Ca 0.46 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.52 1ddb h THR 173 Cb 0.93 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1ddb h THR 173 CO -0.20 0.05 -0.29 0.71 0.37 0.00 0.00 175.52 176.15 1ddb h THR 174 N 0.26 0.00 0.00 3.16 1.35 -0.75 -1.99 112.91 114.94 1ddb h THR 174 Ca 0.11 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ddb h THR 174 Cb 0.04 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.46 1ddb h THR 174 CO -0.08 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.71 1ddb n VAL 175 N -4.34 0.00 0.02 6.82 0.31 -0.61 -2.99 118.33 117.54 1ddb n VAL 175 Ca -0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1ddb n VAL 175 Cb 0.32 -0.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 -0.14 0.28 4.52 7.08 0.14 -1.70 115.58 125.76 1ddb h ASN 176 Ca 0.00 -0.05 -0.01 0.00 -3.08 0.00 0.00 56.30 53.15 1ddb h ASN 176 Cb 0.00 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 1ddb h ASN 176 CO 0.00 0.36 -0.13 -0.26 -2.08 0.00 0.00 177.43 175.32 1ddb h PHE 177 N -1.04 -0.34 -0.75 4.14 -1.00 -1.51 0.50 116.94 116.94 1ddb h PHE 177 Ca -0.02 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.82 1ddb h PHE 177 Cb 0.19 0.11 -0.06 0.00 3.61 0.00 0.00 35.95 39.80 1ddb h PHE 177 CO 0.02 -0.17 0.43 0.97 -1.61 0.00 0.00 178.31 177.94 1ddb h ILE 178 N -0.43 0.97 -0.52 -0.55 -0.00 -1.73 3.15 117.51 118.40 1ddb h ILE 178 Ca -0.04 -0.26 -0.04 0.00 -0.00 0.00 0.00 64.86 64.52 1ddb h ILE 178 Cb 0.33 0.13 -0.02 0.00 -0.00 0.00 0.00 36.82 37.26 1ddb h ILE 178 CO 0.06 0.14 0.17 -1.13 -0.00 0.00 0.00 178.15 177.39 1ddb h ASN 179 N 0.77 0.74 1.37 2.19 -0.73 -1.00 -0.89 115.58 118.03 1ddb h ASN 179 Ca 0.34 -0.20 -0.06 0.00 1.87 0.00 0.00 56.30 58.25 1ddb h ASN 179 Cb 0.22 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1ddb h ASN 179 CO -0.20 0.74 -0.29 1.56 -0.37 0.00 0.00 177.43 178.87 1ddb h GLN 180 N 0.70 0.00 0.00 6.67 1.08 0.13 -3.36 115.11 120.34 1ddb h GLN 180 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1ddb h GLN 180 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1ddb h GLN 180 CO -0.01 0.29 0.00 -1.71 -0.95 0.00 0.00 178.83 176.46 1ddb n ASN 181 N -3.26 0.06 -4.18 1.46 4.05 1.04 -4.92 115.26 109.51 1ddb n ASN 181 Ca 0.02 0.00 -0.44 0.00 0.45 0.00 0.00 54.58 54.61 1ddb n ASN 181 Cb 0.57 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.59 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ddb n LEU 182 N 0.00 5.93 0.00 1.20 7.99 -1.24 -4.86 117.00 126.03 1ddb n LEU 182 Ca 0.00 -4.84 0.00 0.00 -0.01 0.00 0.00 56.01 51.16 1ddb n LEU 182 Cb 0.00 -1.47 0.00 0.00 -0.11 0.00 0.00 43.42 41.84 1ddb n LEU 182 CO 0.00 1.27 0.00 0.33 -1.51 0.00 0.00 177.39 177.48 1ddb n PHE 183 N 3.42 0.00 -3.97 -1.77 7.35 -0.40 -2.76 117.46 119.33 1ddb n PHE 183 Ca 0.32 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.67 1ddb n PHE 183 Cb 0.38 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.07 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ddb s SER 184 N -0.43 4.41 0.53 -2.13 0.15 -1.26 -4.68 113.70 110.28 1ddb s SER 184 Ca 0.00 -1.03 0.41 0.00 0.70 0.00 0.00 55.95 56.03 1ddb s SER 184 Cb 0.00 -1.65 1.60 0.00 -1.71 0.00 0.00 66.02 64.26 1ddb s SER 184 CO 0.00 -0.16 1.69 0.22 1.20 0.00 0.00 173.24 176.19 1ddb h TYR 185 N 7.97 0.08 -0.22 3.44 3.20 -1.93 1.94 116.97 131.44 1ddb h TYR 185 Ca -0.29 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.39 1ddb h TYR 185 Cb 1.09 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1ddb h TYR 185 CO 0.59 -0.02 -0.63 0.28 -1.64 0.00 0.00 178.16 176.74 1ddb h VAL 186 N 0.02 1.29 -0.02 1.81 2.07 -1.93 -1.83 116.25 117.66 1ddb h VAL 186 Ca 0.75 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1ddb h VAL 186 Cb 2.89 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 34.40 1ddb h VAL 186 CO -0.06 0.59 -0.24 -0.09 0.02 0.00 0.00 177.57 177.78 1ddb h ARG 187 N 0.57 -0.36 -0.50 1.57 9.65 0.27 0.44 114.38 126.03 1ddb h ARG 187 Ca -0.01 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1ddb h ARG 187 Cb 1.23 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 1ddb h ARG 187 CO 0.13 -0.24 0.26 -2.95 2.80 0.00 0.00 179.97 179.98 1ddb h ASN 188 N -0.37 0.64 -0.72 -3.80 -1.07 -1.49 -1.98 115.58 106.80 1ddb h ASN 188 Ca 0.07 -0.11 0.10 0.00 0.07 0.00 0.00 56.30 56.43 1ddb h ASN 188 Cb 0.46 -0.16 -0.08 0.00 -2.07 0.00 0.00 38.32 36.47 1ddb h ASN 188 CO -0.23 0.57 0.35 0.25 0.07 0.00 0.00 177.43 178.43 1ddb h LEU 189 N 0.67 0.43 -0.44 6.14 5.85 -0.56 0.20 115.31 127.60 1ddb h LEU 189 Ca 0.18 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1ddb h LEU 189 Cb 0.08 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1ddb h LEU 189 CO -0.03 0.24 0.23 0.58 -0.34 0.00 0.00 178.44 179.12 1ddb h VAL 190 N 0.58 0.99 0.08 1.05 2.07 0.46 0.21 116.25 121.69 1ddb h VAL 190 Ca 0.36 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ddb h VAL 190 Cb 0.42 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ddb h VAL 190 CO -0.29 0.08 -0.05 0.03 0.02 0.00 0.00 177.57 177.36 1ddb h ARG 191 N 0.46 -0.13 -0.34 1.57 3.08 -0.33 -2.70 114.38 115.99 1ddb h ARG 191 Ca 0.19 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1ddb h ARG 191 Cb 0.08 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1ddb h ARG 191 CO -0.12 -0.09 0.02 -0.91 -1.07 0.00 0.00 179.97 177.81 1ddb h ASN 192 N -0.13 -0.09 -4.29 7.04 4.21 -0.24 -3.42 115.58 118.65 1ddb h ASN 192 Ca -0.01 0.07 -0.51 0.00 1.21 0.00 0.00 56.30 57.07 1ddb h ASN 192 Cb 0.11 0.12 0.10 0.00 -1.12 0.00 0.00 38.32 37.54 1ddb h ASN 192 CO 0.00 -0.01 0.35 -0.70 -1.29 0.00 0.00 177.43 175.79 1ddb s GLU 193 N -6.18 2.76 0.26 0.81 -6.30 0.69 -4.84 118.70 105.90 1ddb s GLU 193 Ca -0.13 1.11 0.00 0.00 -2.50 0.00 0.00 54.97 53.45 1ddb s GLU 193 Cb 0.13 -1.96 0.00 0.00 0.00 0.00 0.00 34.13 32.29 1ddb s GLU 193 CO 0.70 -1.25 0.00 -0.12 0.02 0.00 0.00 175.26 174.62 1ddb n MET 194 N -3.01 -2.42 0.00 4.30 1.56 -1.26 -4.84 117.12 111.45 1ddb n MET 194 Ca 0.09 1.79 0.14 0.00 -0.27 0.00 0.00 57.70 59.45 1ddb n MET 194 Cb 0.53 -2.01 0.49 0.00 2.15 0.00 0.00 33.22 34.38 1ddb n MET 194 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99